18815-75-3,MFCD00466775
Catalog No.:AA002GOD

18815-75-3 | 2-(4-Bromobenzamido)acetic acid

This product is typically in stock,please click "Inquire" below or
contact us at [email protected] for pricing and availability information.
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA002GOD
Chemical Name:
2-(4-Bromobenzamido)acetic acid
CAS Number:
18815-75-3
Molecular Formula:
C9H8BrNO3
Molecular Weight:
258.0687
MDL Number:
MFCD00466775
SMILES:
O=C(c1ccc(cc1)Br)NCC(=O)O
Properties
Computed Properties
 
Complexity:
224  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.5  

Downstream Synthesis Route

[1]Samad,MohammedKareem;Hawaiz,FarouqEmam[BioorganicChemistry,2019,vol.85,p.431-444]

[2]Locationinpatent:experimentalpartEißmann,Frank;Weber,Edwin[JournalofMolecularStructure,2011,vol.994,#1-3,p.392-402]

[3]Mestdagh,Helene;Pancrazi,Ange[Tetrahedron,1984,vol.40,#18,p.3399-3414]

[4]Tandon,Manish;Coffen,DavidL.;Gallant,Paul;Keith,Dennis;Ashwell,MarkA.[BioorganicandMedicinalChemistryLetters,2004,vol.14,#8,p.1909-1911]

[5]Huang,Wenhua;Zhang,Li'e[JournalofChemicalResearch,2006,#11,p.738-739]

[6]Locationinpatent:experimentalpartJin,Can;Chen,Jun;Su,Weike[Heterocycles,2011,vol.83,#1,p.153-161]

[7]Locationinpatent:schemeortableWang,Peiyuan;Naduthambi,Devan;Mosley,RalphT.;Niu,Congrong;Furman,PhillipA.;Otto,MichaelJ.;Sofia,MichaelJ.[BioorganicandMedicinalChemistryLetters,2011,vol.21,#15,p.4642-4647]

[8]Han,Wen-Yong;Zuo,Jian;Wu,Zhi-Jun;Zhang,Xiao-Mei;Yuan,Wei-Cheng[Tetrahedron,2013,vol.69,#34,p.7019-7025]

[9]Chen,Jianzhong;Gridnev,IlyaD.;Hu,Yawen;Li,Bowen;Zhang,Wanbin;Zhang,Zhenfeng[AngewandteChemie-InternationalEdition,2020,vol.59,#13,p.5371-5375][Angew.Chem.,2020,vol.132,#13,p.5409-5413,5]

[10]Gu,Xiaoke;Zhang,Yinpeng;Zou,Yueting;Li,Xin;Guan,Mingyu;Zhou,Qingqing;Qiu,Jingying[BioorganicandMedicinalChemistry,2021,vol.29]

[1]Pharmazie,2000,vol.55,p.825-828

[1]BioorganicandMedicinalChemistryLetters,2004,vol.14,p.1909-1911

[1]OrganicLetters,2012,vol.14,p.4334-4337

[1]Tetrahedron,2013,vol.69,p.7019-7025

Literature

Title: Substituted hippurates and hippurate analogs as substrates and inhibitors of peptidylglycine alpha-hydroxylating monooxygenase (PHM).

Journal: Bioorganic & medicinal chemistry 20081201

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SDS
Tags:18815-75-3 Molecular Formula|18815-75-3 MDL|18815-75-3 SMILES|18815-75-3 2-(4-Bromobenzamido)acetic acid
Catalog No.: AA002GOD
18815-75-3,MFCD00466775
18815-75-3 | 2-(4-Bromobenzamido)acetic acid
This product is typically in stock,please click "Inquire" below or contact us at [email protected]for pricing and availability information.
Inquire
Technical Information
Catalog Number: AA002GOD
Chemical Name: 2-(4-Bromobenzamido)acetic acid
CAS Number: 18815-75-3
Molecular Formula: C9H8BrNO3
Molecular Weight: 258.0687
MDL Number: MFCD00466775
SMILES: O=C(c1ccc(cc1)Br)NCC(=O)O
Properties
Complexity: 224  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 14  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.5  
Downstream Synthesis Route
56-40-6    586-75-4    18815-75-3 

[1]Samad,MohammedKareem;Hawaiz,FarouqEmam[BioorganicChemistry,2019,vol.85,p.431-444]

[2]Locationinpatent:experimentalpartEißmann,Frank;Weber,Edwin[JournalofMolecularStructure,2011,vol.994,#1-3,p.392-402]

[3]Mestdagh,Helene;Pancrazi,Ange[Tetrahedron,1984,vol.40,#18,p.3399-3414]

[4]Tandon,Manish;Coffen,DavidL.;Gallant,Paul;Keith,Dennis;Ashwell,MarkA.[BioorganicandMedicinalChemistryLetters,2004,vol.14,#8,p.1909-1911]

[5]Huang,Wenhua;Zhang,Li'e[JournalofChemicalResearch,2006,#11,p.738-739]

[6]Locationinpatent:experimentalpartJin,Can;Chen,Jun;Su,Weike[Heterocycles,2011,vol.83,#1,p.153-161]

[7]Locationinpatent:schemeortableWang,Peiyuan;Naduthambi,Devan;Mosley,RalphT.;Niu,Congrong;Furman,PhillipA.;Otto,MichaelJ.;Sofia,MichaelJ.[BioorganicandMedicinalChemistryLetters,2011,vol.21,#15,p.4642-4647]

[8]Han,Wen-Yong;Zuo,Jian;Wu,Zhi-Jun;Zhang,Xiao-Mei;Yuan,Wei-Cheng[Tetrahedron,2013,vol.69,#34,p.7019-7025]

[9]Chen,Jianzhong;Gridnev,IlyaD.;Hu,Yawen;Li,Bowen;Zhang,Wanbin;Zhang,Zhenfeng[AngewandteChemie-InternationalEdition,2020,vol.59,#13,p.5371-5375][Angew.Chem.,2020,vol.132,#13,p.5409-5413,5]

[10]Gu,Xiaoke;Zhang,Yinpeng;Zou,Yueting;Li,Xin;Guan,Mingyu;Zhou,Qingqing;Qiu,Jingying[BioorganicandMedicinalChemistry,2021,vol.29]

6000-43-7    586-75-4    18815-75-3 

[1]Pharmazie,2000,vol.55,p.825-828

24964-76-9    18815-75-3    699012-71-0 

[1]BioorganicandMedicinalChemistryLetters,2004,vol.14,p.1909-1911

18815-75-3    100-52-7    469898-10-0 

[1]OrganicLetters,2012,vol.14,p.4334-4337

18815-75-3    34595-26-1    1447964-09-1 

[1]Tetrahedron,2013,vol.69,p.7019-7025

Literature fold

Title: Substituted hippurates and hippurate analogs as substrates and inhibitors of peptidylglycine alpha-hydroxylating monooxygenase (PHM).

Journal: Bioorganic & medicinal chemistry20081201

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